1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose

C₂₁H₂₆O₁₀CAS 39686-94-7438.43 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₂₁H₂₆O₁₀
Molar mass: 438.43 g/mol
Exact mass: 438.1526 Da
logP: 1.29Crippen estimate
Polar surface area: 123.7 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 8
Stereocentres: R, R, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

39686-94-7

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C

InChIKey

SJPSXDYBIIGRQJ-YMQHIKHWSA-N

InChI

InChI=1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(27-10-16-8-6-5-7-9-16)20(29-14(3)24)21(31-17)30-15(4)25/h5-9,17-21H,10-11H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1

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Work with 1,2,4,6-Tetra-O-acetyl-3-O-benzyl-beta-D-glucopyranose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-071 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-567 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-967 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-866 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-166 % similar β-D-Galactose pentaacetate4163-60-466 % similar α-D-Mannose pentaacetate4163-65-966 % similar Penta-O-acetyl-α-D-glucopyranose604-68-266 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

sec-O-Glucosylhamaudol80681-44-3

Elsewhere

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